Zobrazeno 1 - 10
of 15
pro vyhledávání: '"Michael A. Krestyaninov"'
Publikováno v:
International Journal of Molecular Sciences, Vol 25, Iss 15, p 8254 (2024)
The study presents a thorough and detailed analysis of bicalutamide’s structural and conformational properties. Quantum chemical calculations were employed to explore the conformational properties of the molecule, identifying significant energy dif
Externí odkaz:
https://doaj.org/article/7b9ad3a5edc549f5b8a60e30f2f88378
Autor:
Ilya A. Khodov, Konstantin V. Belov, Michael A. Krestyaninov, Alexey A. Dyshin, Michael G. Kiselev
Publikováno v:
Materials, Vol 16, Iss 4, p 1524 (2023)
The search for new forms of already known drug compounds is an urgent problem of high relevance as more potent drugs with fewer side effects are needed. The trifluoromethyl group in flufenamic acid renders its chemical structure differently from othe
Externí odkaz:
https://doaj.org/article/8826ccb1f50e4f9796797f52df4f7cde
Publikováno v:
Journal of Pharmaceutical Sciences. 110:1533-1539
Two-dimensional 1H-15N HMBC NMR spectra of the well-known anticonvulsant carbamazepine dissolved in different organic solvents, recorded on an NMR spectrometer prove the existence of hidden conformers in saturated solutions. Obtained conformer distri
Publikováno v:
Journal of Molecular Liquids. 360:119461
Autor:
Roman D, Oparin, Maria V, Kurskaya, Michael A, Krestyaninov, Abdenacer, Idrissi, Michael G, Kiselev
Publikováno v:
European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences. 146
In this paper we have established a correlation between the conformation crossover of carbamazepine and associated polymorph transformation. This was achieved by using a combination of quantum chemical calculations and in situ IR spectroscopy for per
Autor:
Abdenacer Idrissi, Michael A. Krestyaninov, Michael G. Kiselev, R. D. Oparin, Yevhenii A. Vaksler
Publikováno v:
Journal of Molecular Liquids. 330:115657
In this paper we present the results of polymethylmethacrylate (PMMA) impregnation with carbamazepine (CBZ) in a supercritical carbon dioxide (scCO2) medium at two different temperatures (75 °C and 105 °C) at a constant CO2 density. The obtained im
Autor:
Abdenacer Idrissi, Michael A. Krestyaninov, Yevhenii A. Vaksler, R. D. Oparin, Michael G. Kiselev
Publikováno v:
Journal of Molecular Liquids. 323:114630
In this work, we studied the high-temperature polymorphic conversion of carbamazepine (CBZ) in a high-density supercritical CO2 (scCO2) medium in the temperature range of 110–200°C. In order to understand the mechanism of transformation we perform
Molecular recognition of nitrogen – containing bases by Zn[5,15-bis-(2,6-dodecyloxyphenyl)]porphyrin
Autor:
Veronika Khodova, Ilya A. Khodov, Galina M. Mamardashvili, Michael A. Krestyaninov, Olga V. Maltceva, Nugzar Zh. Mamardashvili, Wim Dehaen, Dmitriy A. Lazovskiy
Publikováno v:
Supramolecular Chemistry. 29:360-369
By means of spectrophotometric titration and 1H NMR spectroscopy, the selective binding ability of the Zn-5,15-bis-(2,6-dodecyloxyphenyl)porphyrin towards nitrogen containing organic molecules of various nature has been studied. It has been found tha
Publikováno v:
Journal of Molecular Structure. 1106:424-429
Ab initio quantum-chemical calculations of structure and energies of the complexes of N,N-dimethylformamide (DMF) with sulfuric (H2SO4) and phosphoric (H3PO4) acids have been carried out. It has been found that the hydrogen bond between H2SO4 and DMF
Autor:
Abdenacer Idrissi, Michael A. Krestyaninov, Michael G. Kiselev, R. D. Oparin, Maria V. Kurskaya
Publikováno v:
European Journal of Pharmaceutical Sciences. 146:105273
In this paper we have established a correlation between the conformation crossover of carbamazepine and associated polymorph transformation. This was achieved by using a combination of quantum chemical calculations and in situ IR spectroscopy for per